[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

C32H36N4O2 — CID 70374705

IUPAC[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
SMILESCN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/2C16H18N2O/c2*1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2*2-5,7,10,15,17,19H,6,8-9H2,1H3/t2*10-,15-/m11/s1
InChIKeyRYWDORGYBHLDSV-QRDRZJMGSA-N
MW508.67 g/mol
LogP4.06
Rot. Bonds2

About [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol (PubChem CID 70374705) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.

Molecular Properties

Compound Name[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
PubChem CID70374705
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
SMILESCN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/2C16H18N2O/c2*1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2*2-5,7,10,15,17,19H,6,8-9H2,1H3/t2*10-,15-/m11/s1
InChIKeyRYWDORGYBHLDSV-QRDRZJMGSA-N
XLogP4.06
TPSA78.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The IUPAC name of [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol (CID 70374705) is [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol.
What is the SMILES notation for [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The canonical SMILES for [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol is CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
The InChIKey is RYWDORGYBHLDSV-QRDRZJMGSA-N. The full InChI is InChI=1S/2C16H18N2O/c2*1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2*2-5,7,10,15,17,19H,6,8-9H2,1H3/t2*10-,15-/m11/s1.
What are the key properties of [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol?
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol has a molecular weight of 508.67 g/mol, XLogP of 4.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol is sourced from PubChem (CID 70374705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).